5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanylmethyl]-1,3-benzodioxole

Systemtic Name: 5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanylmethyl]-1,3-benzodioxole Openeye Name: 5-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanylmethyl]-1,3-benzodioxole CAS Name: 5-[[(2-bromo-4,5-dimethoxyphenyl)methylthio]methyl]-1,3-benzodioxole IUPAC Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-benzodioxole Traditional Name: 5-[[(2-bromo-4,5-dimethoxy-benzyl)thio]methyl]-1,3-benzodioxole Formula: C17H17BrO4S MolecularWeight: 397.28348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSCC2=CC3=C(C=C2)OCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSCC2=CC3=C(C=C2)OCO3)Br)OC

InChI

InChI=1S/C17H17BrO4S/c1-19-15-6-12(13(18)7-16(15)20-2)9-23-8-11-3-4-14-17(5-11)22-10-21-14/h3-7H,8-10H2,1-2H3